A phonon calculation package based on dflow
Project description
dflow-phonon
使用方法:
pip install --index-url https://pypi.org/simple/ dflow-phonon
之后进入一个example文件夹,填写global.json
如果调用VASP: dflowphonon --vasp 如果使用DP势函数: dflowphonon --dp 如果调用ABACUS:dflowphonon --abacus
然后在https://workflows.deepmodeling.com 监控任务进程
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
dflow-phonon-0.0.15.tar.gz
(7.8 kB
view hashes)
Built Distribution
Close
Hashes for dflow_phonon-0.0.15-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 6509fa5dee428869e9e71582facb9f60c68ccfc95996ff5148fc496e51b96358 |
|
MD5 | a3288ff5660a334dacb8d123f994d646 |
|
BLAKE2b-256 | dabba92e4e595499224e5b1af7ee2a8fd9d5c23809308c7472ecfdd7a55be639 |